(2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide

C16H28N6 — CID 137215412

IUPAC(2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide
SMILESCCCN1CCN(CC/N=C(N)/C(N)=C2/C=CC=CN2)CC1
InChIInChI=1S/C16H28N6/c1-2-8-21-10-12-22(13-11-21)9-7-20-16(18)15(17)14-5-3-4-6-19-14/h3-6,19H,2,7-13,17H2,1H3,(H2,18,20)/b15-14+
InChIKeyQSMJHDYTRIQYCQ-CCEZHUSRSA-N
MW304.44 g/mol
LogP0.21
Rot. Bonds6

About (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide

(2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide (PubChem CID 137215412) has the molecular formula C16H28N6 and a molecular weight of 304.44 g/mol. Its IUPAC name is (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide.

Molecular Properties

Compound Name(2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide
PubChem CID137215412
Molecular FormulaC16H28N6
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC Name(2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide
SMILESCCCN1CCN(CC/N=C(N)/C(N)=C2/C=CC=CN2)CC1
InChIInChI=1S/C16H28N6/c1-2-8-21-10-12-22(13-11-21)9-7-20-16(18)15(17)14-5-3-4-6-19-14/h3-6,19H,2,7-13,17H2,1H3,(H2,18,20)/b15-14+
InChIKeyQSMJHDYTRIQYCQ-CCEZHUSRSA-N
XLogP0.21
TPSA82.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide?
The IUPAC name of (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide (CID 137215412) is (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide.
What is the SMILES notation for (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide?
The canonical SMILES for (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide is CCCN1CCN(CC/N=C(N)/C(N)=C2/C=CC=CN2)CC1.
What is the InChIKey of (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide?
The InChIKey is QSMJHDYTRIQYCQ-CCEZHUSRSA-N. The full InChI is InChI=1S/C16H28N6/c1-2-8-21-10-12-22(13-11-21)9-7-20-16(18)15(17)14-5-3-4-6-19-14/h3-6,19H,2,7-13,17H2,1H3,(H2,18,20)/b15-14+.
What are the key properties of (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide?
(2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide has a molecular weight of 304.44 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide is sourced from PubChem (CID 137215412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).